![CAS 531493-53-5 1-Naphthaleneacetamide, N-[4-(acetylamino)phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/531493-53-5.gif)
CAS RN: 531493-53-5
1-Naphthaleneacetamide, N-[4-(acetylamino)phenyl]-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260114 | 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS531493-53-5
- Purity/Analytical Methods: >99.0%
531493-53-5 / N-(4-acetamidophenyl)-2-naphthalen-1-ylacetamide
Basic Information
CAS
531493-53-5
Multi CAS
No
Molecular Formula
C20H18N2O2
Molecular Weight
318.400000
Exact Mass
318.136828
InChI
InChI=1S/C20H18N2O2/c1-14(23)21-17-9-11-18(12-10-17)22-20(24)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKey
IZICSYDYKXABAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.1
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
2
Molar refractivity
97.03
TPSA
58.2
LogP / Solubility
WLOGP
3.98
MLOGP
3.52
XLogP3
3.1
Consensus LogP
3.53
Log S (ESOL)
-4.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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